COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018991
Chemical Name: ethyl2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc(c1C)C(=O)Nc1ccccc1C(F)(F)F

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Molecular Weight: 555.92
Empirical Formula: C23H17ClF3N3O6S

Physical State: Dry powder
Available Amount: 745 mg

Lipinsky:
logP: 7.317
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 158
Number of rings: 3

     

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